1-tert-butyl-3-[6-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]urea

Systemtic Name: 1-tert-butyl-3-[6-[4-(2,4-dichlorophenyl)carbonylpiperazin-1-yl]pyridin-3-yl]urea Openeye Name: 1-tert-butyl-3-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]-3-pyridyl]urea CAS Name: 1-tert-butyl-3-[6-[4-[(2,4-dichlorophenyl)-oxomethyl]-1-piperazinyl]-3-pyridinyl]urea IUPAC Name: 1-tert-butyl-3-[6-[4-(2,4-dichlorobenzoyl)piperazin-1-yl]pyridin-3-yl]urea Traditional Name: 1-tert-butyl-3-[6-[4-(2,4-dichlorobenzoyl)piperazino]-3-pyridyl]urea Formula: C21H25Cl2N5O2 MolecularWeight: 450.3615

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CC(C)(C)NC(=O)NC1=CN=C(C=C1)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H25Cl2N5O2/c1-21(2,3)26-20(30)25-15-5-7-18(24-13-15)27-8-10-28(11-9-27)19(29)16-6-4-14(22)12-17(16)23/h4-7,12-13H,8-11H2,1-3H3,(H2,25,26,30)